#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 5.69 -1.00 1.61 1.04 -1.26 -4.97 113.70 114.80 1xke s SER 2 Ca 0.00 -0.20 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 1xke s SER 2 Cb 0.00 -0.95 -0.15 0.00 0.10 0.00 0.00 66.02 65.02 1xke s SER 2 CO 0.00 -0.74 3.11 0.61 0.98 0.00 0.00 173.24 177.20 1xke n GLY 3 N -1.91 3.70 0.00 7.32 0.00 -1.26 -3.31 105.19 109.73 1xke n GLY 3 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1xke n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xke n GLU 4 N 3.24 1.88 -3.01 1.61 1.02 -1.26 -4.86 120.64 119.25 1xke n GLU 4 Ca 0.63 -0.18 -0.17 0.00 -0.02 0.00 0.00 57.16 57.43 1xke n GLU 4 Cb 0.46 -0.60 -0.02 0.00 -0.02 0.00 0.00 31.44 31.26 1xke n GLU 4 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xke n GLU 5 N -0.32 0.65 -0.06 3.49 0.28 -1.21 -4.85 120.64 118.62 1xke n GLU 5 Ca 0.00 -2.56 0.00 0.00 -0.16 0.00 0.00 57.16 54.44 1xke n GLU 5 Cb 0.04 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1xke n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xke n ASP 6 N 1.84 0.00 -4.12 -1.84 2.03 -1.26 -4.89 116.55 108.30 1xke n ASP 6 Ca 0.18 -0.84 -0.22 0.00 0.52 0.00 0.00 54.79 54.43 1xke n ASP 6 Cb 0.56 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.81 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xke s GLU 7 N 0.00 1.13 0.18 -0.67 1.03 -1.26 0.46 118.70 119.56 1xke s GLU 7 Ca 0.00 -0.57 0.09 0.00 0.03 0.00 0.00 54.97 54.52 1xke s GLU 7 Cb 0.00 -1.11 -0.04 0.00 -0.80 0.00 0.00 34.13 32.18 1xke s GLU 7 CO 0.00 0.30 -0.18 -1.59 -1.33 0.00 0.00 175.26 172.46 1xke s LYS 8 N -0.51 1.31 -0.25 -4.83 -2.85 -0.61 -4.76 119.74 107.23 1xke s LYS 8 Ca 0.05 -1.45 -0.28 0.00 -1.00 0.00 0.00 55.97 53.29 1xke s LYS 8 Cb -0.06 -1.34 0.01 0.00 -2.06 0.00 0.00 37.83 34.38 1xke s LYS 8 CO -0.00 0.27 1.02 0.08 0.10 0.00 0.00 175.35 176.82 1xke s VAL 9 N -2.17 4.66 -0.03 1.79 1.01 -1.25 -1.05 120.40 123.36 1xke s VAL 9 Ca 0.17 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 1xke s VAL 9 Cb -0.05 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1xke s VAL 9 CO 0.07 -0.24 0.24 0.25 0.00 0.00 0.00 175.10 175.42 1xke h LEU 10 N 9.57 -0.09 -7.67 3.92 5.85 -0.88 -3.48 115.31 122.53 1xke h LEU 10 Ca -0.20 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.33 1xke h LEU 10 Cb 1.06 0.02 -0.26 0.00 0.37 0.00 0.00 40.66 41.85 1xke h LEU 10 CO 0.98 0.09 -0.61 -0.47 -0.34 0.00 0.00 178.44 178.08 1xke s TYR 11 N -1.79 -0.06 -0.10 1.25 5.04 -1.26 -5.01 117.35 115.42 1xke s TYR 11 Ca -0.02 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1xke s TYR 11 Cb 0.00 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.34 1xke s TYR 11 CO 0.05 -0.08 -0.08 -1.54 -1.34 0.00 0.00 175.55 172.56 1xke s SER 12 N -0.17 2.00 0.06 4.32 1.04 -1.25 -2.26 113.70 117.43 1xke s SER 12 Ca -0.02 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.00 1xke s SER 12 Cb -0.02 -0.80 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1xke s SER 12 CO 0.00 -0.08 0.28 -1.58 0.98 0.00 0.00 173.24 172.83 1xke s GLN 13 N 1.44 0.82 0.07 4.02 0.74 0.11 -4.90 119.66 121.97 1xke s GLN 13 Ca -0.00 -0.61 -0.30 0.00 0.05 0.00 0.00 55.36 54.50 1xke s GLN 13 Cb -0.13 0.35 -0.05 0.00 1.10 0.00 0.00 33.01 34.28 1xke s GLN 13 CO -0.05 -0.26 1.04 1.03 -0.55 0.00 0.00 175.29 176.49 1xke s ARG 14 N -2.85 4.58 0.26 1.67 0.52 -1.26 0.70 118.95 122.58 1xke s ARG 14 Ca -0.03 1.54 0.03 0.00 -0.52 0.00 0.00 55.73 56.75 1xke s ARG 14 Cb 0.00 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1xke s ARG 14 CO -0.05 0.00 0.19 0.54 0.02 0.00 0.00 175.30 176.00 1xke s VAL 15 N 0.54 0.04 0.02 3.52 0.11 0.13 -4.82 120.40 119.94 1xke s VAL 15 Ca 0.51 -2.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.62 1xke s VAL 15 Cb -0.25 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 1xke s VAL 15 CO 0.30 0.00 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.39 1xke s LYS 16 N -3.83 2.26 0.08 1.54 1.02 -0.18 -0.79 119.74 119.83 1xke s LYS 16 Ca 0.39 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.55 1xke s LYS 16 Cb 0.05 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1xke s LYS 16 CO 0.19 0.57 -0.01 -1.17 -0.92 0.00 0.00 175.35 174.00 1xke s LEU 17 N -1.38 3.42 0.05 3.17 2.96 0.11 -2.10 118.68 124.91 1xke s LEU 17 Ca 0.15 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1xke s LEU 17 Cb -0.11 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1xke s LEU 17 CO 0.06 0.19 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.83 1xke s PHE 18 N -1.27 0.77 0.07 5.38 0.40 0.15 0.10 117.98 123.59 1xke s PHE 18 Ca 0.24 -0.50 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1xke s PHE 18 Cb -0.12 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1xke s PHE 18 CO 0.17 -0.06 -0.15 -0.98 0.70 0.00 0.00 175.22 174.90 1xke s ARG 19 N -1.67 2.06 -0.28 0.44 1.70 0.23 -1.20 118.95 120.23 1xke s ARG 19 Ca -0.08 -1.02 -0.22 0.00 -0.47 0.00 0.00 55.73 53.94 1xke s ARG 19 Cb -0.10 -2.23 -0.01 0.00 -0.57 0.00 0.00 34.95 32.05 1xke s ARG 19 CO 0.01 0.52 0.73 0.12 -1.08 0.00 0.00 175.30 175.60 1xke s PHE 20 N -1.07 3.24 -0.24 5.89 5.36 -0.94 0.44 117.98 130.66 1xke s PHE 20 Ca 0.18 0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 56.76 1xke s PHE 20 Cb -0.11 -3.06 -0.02 0.00 -0.34 0.00 0.00 43.02 39.49 1xke s PHE 20 CO 0.09 -0.47 0.68 0.34 -1.46 0.00 0.00 175.22 174.41 1xke s ASP 21 N 1.54 6.66 0.21 6.13 -1.08 0.22 -4.84 116.67 125.51 1xke s ASP 21 Ca 0.30 0.81 -0.03 0.00 -0.52 0.00 0.00 52.55 53.11 1xke s ASP 21 Cb -0.15 -2.37 0.17 0.00 -1.46 0.00 0.00 42.92 39.12 1xke s ASP 21 CO 0.10 -0.40 1.58 0.00 0.52 0.00 0.00 175.17 176.98 1xke h ALA 22 N 7.78 0.82 0.03 3.66 0.00 -1.93 0.48 119.26 130.11 1xke h ALA 22 Ca -0.26 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 1xke h ALA 22 Cb 1.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1xke h ALA 22 CO 0.80 0.65 -1.20 0.93 0.00 0.00 0.00 179.25 180.43 1xke h GLU 23 N 0.55 0.07 -0.00 0.00 4.39 -1.96 -3.18 114.58 114.45 1xke h GLU 23 Ca 0.05 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1xke h GLU 23 Cb 0.88 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1xke h GLU 23 CO 0.08 0.97 -0.67 0.28 -1.16 0.00 0.00 179.01 178.51 1xke n VAL 24 N -3.34 0.00 -3.25 3.13 0.31 -1.20 -4.90 118.33 109.08 1xke n VAL 24 Ca -0.05 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.03 1xke n VAL 24 Cb 0.98 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 1xke n VAL 24 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xke n SER 25 N -1.35 -4.10 -3.92 4.52 7.64 0.15 -4.94 113.62 111.61 1xke n SER 25 Ca 0.06 -0.34 -0.10 0.00 1.01 0.00 0.00 58.87 59.49 1xke n SER 25 Cb 0.34 -3.38 -0.12 0.00 -1.01 0.00 0.00 64.21 60.04 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -5.90 0.24 -0.69 1.43 0.74 0.02 -4.80 119.66 110.70 1xke s GLN 26 Ca 0.36 -0.33 -0.26 0.00 0.05 0.00 0.00 55.36 55.18 1xke s GLN 26 Cb -0.19 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 1xke s GLN 26 CO 0.44 -0.04 1.88 -1.58 -0.55 0.00 0.00 175.29 175.44 1xke s TRP 27 N -0.89 1.70 0.05 1.67 0.52 -1.24 0.70 118.94 121.44 1xke s TRP 27 Ca -0.10 0.75 0.07 0.00 0.02 0.00 0.00 56.10 56.84 1xke s TRP 27 Cb -0.06 -4.08 -0.03 0.00 -1.15 0.00 0.00 33.47 28.15 1xke s TRP 27 CO -0.00 -2.16 -0.16 0.21 0.02 0.00 0.00 176.95 174.85 1xke s LYS 28 N 7.04 2.07 0.25 4.98 2.47 0.17 -4.85 119.74 131.88 1xke s LYS 28 Ca 0.68 -0.99 -0.30 0.00 -1.56 0.00 0.00 55.97 53.79 1xke s LYS 28 Cb -0.11 -2.21 -0.11 0.00 -1.46 0.00 0.00 37.83 33.94 1xke s LYS 28 CO 0.15 0.53 1.58 -1.83 0.16 0.00 0.00 175.35 175.94 1xke s GLU 29 N -1.60 4.17 -0.10 4.03 4.04 -1.26 0.76 118.70 128.73 1xke s GLU 29 Ca 0.16 2.50 0.12 0.00 0.04 0.00 0.00 54.97 57.79 1xke s GLU 29 Cb -0.11 -3.07 -0.24 0.00 0.02 0.00 0.00 34.13 30.74 1xke s GLU 29 CO 0.07 -0.60 0.44 0.54 -1.84 0.00 0.00 175.26 173.87 1xke n ARG 30 N 2.70 0.66 -3.55 -4.83 1.74 0.28 -4.71 116.66 108.95 1xke n ARG 30 Ca 0.10 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1xke n ARG 30 Cb 0.38 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xke n GLY 31 N 1.67 -0.52 3.17 -0.13 0.00 -1.02 -4.96 105.19 103.40 1xke n GLY 31 Ca -0.24 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1xke n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xke s LEU 32 N 0.00 1.93 0.00 0.99 1.02 -1.26 0.06 118.68 121.42 1xke s LEU 32 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 54.13 52.97 1xke s LEU 32 Cb 0.00 0.18 0.00 0.00 0.02 0.00 0.00 46.19 46.39 1xke s LEU 32 CO 0.00 -0.67 0.00 0.61 0.02 0.00 0.00 176.35 176.31 1xke n GLY 33 N -0.13 -0.57 3.22 -3.19 0.00 0.03 -4.15 105.19 100.39 1xke n GLY 33 Ca -0.06 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -4.00 3.29 -0.25 1.61 2.47 0.16 0.19 114.94 118.41 1xke s ASN 34 Ca 0.00 -0.54 -0.20 0.00 0.42 0.00 0.00 52.86 52.54 1xke s ASN 34 Cb 0.00 -1.47 -0.02 0.00 -1.45 0.00 0.00 41.25 38.31 1xke s ASN 34 CO 0.00 0.11 0.61 -0.22 -3.72 0.00 0.00 177.10 173.88 1xke s LEU 35 N 0.65 4.07 -0.04 3.21 0.20 0.22 -1.54 118.68 125.44 1xke s LEU 35 Ca -0.10 0.68 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1xke s LEU 35 Cb -0.16 -2.82 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 1xke s LEU 35 CO 0.02 -0.34 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.11 1xke s LYS 36 N 2.41 2.62 -0.23 1.98 1.02 0.21 -0.71 119.74 127.05 1xke s LYS 36 Ca 0.25 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 1xke s LYS 36 Cb -0.16 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1xke s LYS 36 CO 0.09 0.64 -0.01 0.42 -0.92 0.00 0.00 175.35 175.57 1xke s ILE 37 N -0.84 3.69 -0.12 2.17 -1.09 -0.96 -0.33 121.20 123.73 1xke s ILE 37 Ca 0.13 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1xke s ILE 37 Cb -0.11 -2.69 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1xke s ILE 37 CO 0.03 0.40 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.30 1xke s LEU 38 N 1.47 3.05 -0.11 2.97 1.02 0.73 -0.09 118.68 127.73 1xke s LEU 38 Ca 0.05 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1xke s LEU 38 Cb -0.15 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 1xke s LEU 38 CO -0.01 0.24 -0.16 -0.75 0.02 0.00 0.00 176.35 175.68 1xke s LYS 39 N -0.05 3.13 0.50 1.70 2.20 -0.22 -0.14 119.74 126.85 1xke s LYS 39 Ca -0.00 -0.74 -0.23 0.00 -0.36 0.00 0.00 55.97 54.64 1xke s LYS 39 Cb -0.13 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.63 1xke s LYS 39 CO 0.03 0.28 1.28 -0.80 -0.36 0.00 0.00 175.35 175.78 1xke s ASN 40 N 0.16 5.73 0.01 1.43 -0.87 0.03 -1.58 114.94 119.85 1xke s ASN 40 Ca -0.09 2.58 0.23 0.00 -1.57 0.00 0.00 52.86 54.01 1xke s ASN 40 Cb -0.15 -2.62 0.98 0.00 -0.02 0.00 0.00 41.25 39.43 1xke s ASN 40 CO 0.05 -1.24 1.74 -0.62 -2.57 0.00 0.00 177.10 174.46 1xke n GLU 41 N -0.69 0.01 0.25 -0.60 -0.58 0.17 -0.49 120.64 118.72 1xke n GLU 41 Ca 0.08 0.12 0.15 0.00 -0.42 0.00 0.00 57.16 57.09 1xke n GLU 41 Cb 0.46 -1.52 0.47 0.00 -0.57 0.00 0.00 31.44 30.28 1xke n GLU 41 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1xke h VAL 42 N 0.00 0.00 -5.62 2.62 2.07 -1.91 -3.46 116.25 109.94 1xke h VAL 42 Ca 0.00 -0.71 -0.38 0.00 0.82 0.00 0.00 66.70 66.43 1xke h VAL 42 Cb 0.41 1.70 0.14 0.00 -1.52 0.00 0.00 31.29 32.02 1xke h VAL 42 CO 0.00 0.00 -0.66 -3.20 0.02 0.00 0.00 177.57 173.73 1xke n ASN 43 N -3.07 -5.96 0.02 0.57 5.15 0.36 -4.86 115.26 107.47 1xke n ASN 43 Ca 0.02 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1xke n ASN 43 Cb 0.40 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.80 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xke n GLY 44 N -1.90 -0.04 3.84 8.20 0.00 -1.26 -4.62 105.19 109.41 1xke n GLY 44 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1xke n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xke s LYS 45 N -2.00 3.81 0.14 1.61 2.47 -1.26 -4.92 119.74 119.58 1xke s LYS 45 Ca 0.00 0.19 0.10 0.00 -1.56 0.00 0.00 55.97 54.70 1xke s LYS 45 Cb 0.00 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 33.09 1xke s LYS 45 CO 0.00 0.66 -0.25 -0.51 0.16 0.00 0.00 175.35 175.41 1xke s LEU 46 N -0.84 2.35 0.01 5.43 2.01 -1.26 -0.79 118.68 125.58 1xke s LEU 46 Ca 0.20 -0.77 -0.07 0.00 0.01 0.00 0.00 54.13 53.50 1xke s LEU 46 Cb -0.15 -1.13 0.00 0.00 0.01 0.00 0.00 46.19 44.93 1xke s LEU 46 CO 0.09 0.13 0.13 0.00 1.01 0.00 0.00 176.35 177.72 1xke s ARG 47 N -2.19 0.49 -0.17 1.70 1.70 0.80 -3.16 118.95 118.11 1xke s ARG 47 Ca 0.14 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.98 1xke s ARG 47 Cb -0.09 0.20 0.03 0.00 -0.57 0.00 0.00 34.95 34.52 1xke s ARG 47 CO 0.06 -0.12 -0.12 1.41 -1.08 0.00 0.00 175.30 175.46 1xke s MET 48 N -1.45 2.11 0.11 3.89 -2.45 0.32 -0.19 119.30 121.65 1xke s MET 48 Ca -0.14 -0.70 0.07 0.00 -1.25 0.00 0.00 55.69 53.67 1xke s MET 48 Cb -0.07 -2.25 -0.04 0.00 1.25 0.00 0.00 34.83 33.72 1xke s MET 48 CO 0.01 -0.34 -0.17 -0.48 1.05 0.00 0.00 175.02 175.09 1xke s LEU 49 N 1.45 2.35 -0.11 4.11 0.05 0.55 0.26 118.68 127.34 1xke s LEU 49 Ca 0.02 -0.74 0.01 0.00 0.05 0.00 0.00 54.13 53.47 1xke s LEU 49 Cb -0.15 -0.68 0.02 0.00 -2.05 0.00 0.00 46.19 43.33 1xke s LEU 49 CO -0.09 -0.06 -0.15 0.00 -0.55 0.00 0.00 176.35 175.50 1xke s MET 50 N -2.25 2.19 0.08 1.48 0.23 -0.96 0.66 119.30 120.72 1xke s MET 50 Ca 0.07 -0.55 0.06 0.00 -1.03 0.00 0.00 55.69 54.24 1xke s MET 50 Cb -0.08 -1.89 -0.04 0.00 -1.53 0.00 0.00 34.83 31.29 1xke s MET 50 CO 0.04 -0.09 -0.10 0.50 -2.03 0.00 0.00 175.02 173.34 1xke s ARG 51 N 1.07 2.20 -0.16 3.16 3.52 -0.59 0.11 118.95 128.25 1xke s ARG 51 Ca -0.05 -0.97 -0.24 0.00 -0.13 0.00 0.00 55.73 54.34 1xke s ARG 51 Cb -0.15 -2.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1xke s ARG 51 CO -0.03 0.53 0.79 1.03 -0.81 0.00 0.00 175.30 176.81 1xke s ARG 52 N -2.00 4.30 0.00 5.12 0.52 -0.21 0.40 118.95 127.08 1xke s ARG 52 Ca 0.20 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1xke s ARG 52 Cb -0.11 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1xke s ARG 52 CO 0.12 -0.28 0.70 -1.91 0.02 0.00 0.00 175.30 173.94 1xke n GLU 53 N 5.08 0.00 0.00 3.54 4.07 -1.26 -0.00 120.64 132.07 1xke n GLU 53 Ca 0.03 0.46 0.14 0.00 -0.06 0.00 0.00 57.16 57.73 1xke n GLU 53 Cb 0.49 -1.20 0.64 0.00 -0.06 0.00 0.00 31.44 31.31 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1xke n GLN 54 N -1.46 0.24 0.00 5.31 6.02 -1.26 -1.98 117.38 124.25 1xke n GLN 54 Ca 0.00 -0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.09 1xke n GLN 54 Cb 0.00 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.18 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1xke n VAL 55 N -1.35 0.00 -0.67 5.09 0.31 -1.02 -4.92 118.33 115.77 1xke n VAL 55 Ca 0.10 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1xke n VAL 55 Cb 0.30 0.30 -0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1xke n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xke n LEU 56 N -0.72 0.46 -3.92 7.52 7.94 1.00 -4.89 117.00 124.40 1xke n LEU 56 Ca 0.13 0.03 -0.30 0.00 -1.11 0.00 0.00 56.01 54.75 1xke n LEU 56 Cb 0.33 -1.72 -0.15 0.00 0.53 0.00 0.00 43.42 42.41 1xke n LEU 56 CO 0.25 -0.61 -0.39 -0.75 -1.11 0.00 0.00 177.39 174.79 1xke s LYS 57 N -1.37 1.44 -0.03 1.96 2.20 -1.04 -4.85 119.74 118.04 1xke s LYS 57 Ca 0.00 -1.17 -0.05 0.00 -0.36 0.00 0.00 55.97 54.39 1xke s LYS 57 Cb 0.00 -2.60 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1xke s LYS 57 CO 0.00 -0.73 0.16 1.55 -0.36 0.00 0.00 175.35 175.97 1xke n VAL 58 N 4.62 0.00 -0.11 4.02 3.14 -1.26 -1.04 118.33 127.70 1xke n VAL 58 Ca -0.07 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.16 1xke n VAL 58 Cb 0.43 -0.03 -0.10 0.00 -1.06 0.00 0.00 33.84 33.09 1xke n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xke s ALA 60 N -2.43 -0.28 -0.31 0.00 0.00 -1.16 -4.78 121.76 112.81 1xke s ALA 60 Ca -0.28 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1xke s ALA 60 Cb 0.07 -0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.08 1xke s ALA 60 CO 0.50 -0.05 -0.01 1.21 0.00 0.00 0.00 175.76 177.40 1xke s ASN 61 N 0.06 4.71 -0.09 0.00 2.47 -1.26 -2.27 114.94 118.55 1xke s ASN 61 Ca -0.00 -1.68 -0.05 0.00 0.42 0.00 0.00 52.86 51.55 1xke s ASN 61 Cb -0.01 -1.63 -0.04 0.00 -1.45 0.00 0.00 41.25 38.12 1xke s ASN 61 CO 0.00 -0.30 0.14 -1.00 -3.72 0.00 0.00 177.10 172.22 1xke s HIS 62 N 1.07 3.54 0.09 0.43 3.76 0.14 -3.69 115.29 120.62 1xke s HIS 62 Ca -0.00 0.45 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1xke s HIS 62 Cb -0.20 -1.89 -0.07 0.00 1.11 0.00 0.00 32.58 31.53 1xke s HIS 62 CO -0.05 0.69 0.68 -1.58 -0.85 0.00 0.00 174.74 173.63 1xke s TRP 63 N -1.10 3.81 -0.42 1.40 0.51 -1.26 0.12 118.94 122.00 1xke s TRP 63 Ca 0.18 1.42 -0.09 0.00 -2.12 0.00 0.00 56.10 55.49 1xke s TRP 63 Cb -0.12 -2.66 0.08 0.00 -0.81 0.00 0.00 33.47 29.95 1xke s TRP 63 CO 0.08 0.47 0.26 -1.50 -0.51 0.00 0.00 176.95 175.76 1xke s ILE 64 N -0.80 4.27 0.10 2.03 -1.16 -1.19 -4.79 121.20 119.65 1xke s ILE 64 Ca 0.33 -1.38 -0.04 0.00 -0.51 0.00 0.00 60.65 59.05 1xke s ILE 64 Cb -0.21 -3.61 -0.03 0.00 0.61 0.00 0.00 42.46 39.23 1xke s ILE 64 CO 0.22 -0.51 0.10 0.28 -2.81 0.00 0.00 174.94 172.22 1xke s THR 65 N 1.43 0.14 -1.57 4.00 -1.32 -1.26 -4.67 115.64 112.40 1xke s THR 65 Ca 0.03 -1.62 0.24 0.00 -1.21 0.00 0.00 61.69 59.14 1xke s THR 65 Cb -0.23 -1.68 0.49 0.00 -1.51 0.00 0.00 72.50 69.58 1xke s THR 65 CO 0.02 -0.65 1.82 0.35 -2.21 0.00 0.00 174.62 173.95 1xke n THR 66 N -0.04 0.18 1.78 5.08 -2.24 -1.23 -2.62 114.28 115.18 1xke n THR 66 Ca -0.11 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 1xke n THR 66 Cb 0.62 -0.65 0.53 0.00 -2.10 0.00 0.00 70.33 68.73 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xke n THR 67 N -1.22 0.05 -4.13 4.28 -1.04 -1.26 -4.69 114.28 106.27 1xke n THR 67 Ca 0.13 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1xke n THR 67 Cb 0.17 -0.11 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 1xke n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xke s MET 68 N -1.95 1.45 0.03 -2.82 0.00 -1.08 -5.14 119.30 109.79 1xke s MET 68 Ca 0.30 -1.57 -0.01 0.00 0.00 0.00 0.00 55.69 54.42 1xke s MET 68 Cb 0.15 0.36 -0.02 0.00 0.00 0.00 0.00 34.83 35.31 1xke s MET 68 CO 0.24 -0.54 -0.02 1.21 0.00 0.00 0.00 175.02 175.91 1xke s ASN 69 N -3.15 0.28 -0.13 1.11 3.04 -1.26 -4.85 114.94 109.98 1xke s ASN 69 Ca 0.33 -0.59 -0.12 0.00 0.04 0.00 0.00 52.86 52.53 1xke s ASN 69 Cb 0.03 0.13 -0.05 0.00 -1.54 0.00 0.00 41.25 39.83 1xke s ASN 69 CO 0.14 -0.37 0.25 -1.48 -3.04 0.00 0.00 177.10 172.60 1xke s LEU 70 N -1.78 4.31 -0.00 3.21 0.05 -1.26 -4.06 118.68 119.15 1xke s LEU 70 Ca -0.11 0.54 0.03 0.00 0.05 0.00 0.00 54.13 54.64 1xke s LEU 70 Cb -0.06 -2.30 -0.01 0.00 -2.05 0.00 0.00 46.19 41.78 1xke s LEU 70 CO -0.03 0.22 -0.09 -0.75 -0.55 0.00 0.00 176.35 175.15 1xke s LYS 71 N -0.16 0.73 0.57 1.48 2.20 0.83 -4.89 119.74 120.50 1xke s LYS 71 Ca 0.16 -0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.28 1xke s LYS 71 Cb -0.13 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.44 1xke s LYS 71 CO 0.05 0.19 1.02 -1.25 -0.36 0.00 0.00 175.35 174.99 1xke s PRO 72 N -0.27 3.64 0.65 4.03 0.04 -1.26 0.62 135.00 142.45 1xke s PRO 72 Ca 0.03 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.11 1xke s PRO 72 Cb -0.04 -2.09 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1xke s PRO 72 CO -0.00 -0.53 0.90 -0.48 0.04 0.00 0.00 177.00 176.92 1xke s LEU 73 N -4.48 3.03 0.18 -3.56 2.34 -1.24 -4.81 118.68 110.15 1xke s LEU 73 Ca 0.59 -0.62 -0.30 0.00 0.06 0.00 0.00 54.13 53.87 1xke s LEU 73 Cb -0.12 -1.78 -0.08 0.00 -0.56 0.00 0.00 46.19 43.65 1xke s LEU 73 CO 0.38 -1.63 1.28 -0.44 -1.06 0.00 0.00 176.35 174.89 1xke s SER 74 N -4.71 6.94 0.00 1.48 0.01 -1.26 -2.73 113.70 113.44 1xke s SER 74 Ca 0.64 2.33 0.00 0.00 1.31 0.00 0.00 55.95 60.24 1xke s SER 74 Cb -0.05 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1xke s SER 74 CO 0.42 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1xke n GLY 75 N 2.48 0.44 3.75 3.44 0.00 -1.26 -4.99 105.19 109.05 1xke n GLY 75 Ca 0.06 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 1xke n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xke s SER 76 N -2.53 7.49 -0.24 1.61 0.15 -1.10 -4.92 113.70 114.16 1xke s SER 76 Ca 0.00 2.03 -0.15 0.00 0.70 0.00 0.00 55.95 58.52 1xke s SER 76 Cb 0.00 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.60 1xke s SER 76 CO 0.00 0.01 -0.35 -0.90 1.20 0.00 0.00 173.24 173.20 1xke n ASP 77 N 1.68 1.94 -2.69 5.45 5.68 -1.26 -4.81 116.55 122.53 1xke n ASP 77 Ca -0.01 0.33 -0.03 0.00 -0.50 0.00 0.00 54.79 54.59 1xke n ASP 77 Cb 0.47 -0.78 0.12 0.00 -1.14 0.00 0.00 41.12 39.78 1xke n ASP 77 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xke n ARG 78 N -4.33 1.37 -4.27 0.11 5.12 -1.26 -5.01 116.66 108.40 1xke n ARG 78 Ca -0.38 -1.54 -0.33 0.00 -1.93 0.00 0.00 57.85 53.67 1xke n ARG 78 Cb 0.74 0.15 -0.09 0.00 -1.16 0.00 0.00 32.46 32.10 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xke s ALA 79 N -0.26 3.31 0.07 7.54 0.00 -1.26 -4.20 121.76 126.97 1xke s ALA 79 Ca 0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1xke s ALA 79 Cb 0.43 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1xke s ALA 79 CO -0.11 0.65 0.02 -1.58 0.00 0.00 0.00 175.76 174.74 1xke s TRP 80 N -1.09 0.55 0.16 0.00 0.52 -1.11 -3.61 118.94 114.37 1xke s TRP 80 Ca 0.20 -1.04 0.08 0.00 0.02 0.00 0.00 56.10 55.35 1xke s TRP 80 Cb -0.12 -0.36 -0.04 0.00 -1.15 0.00 0.00 33.47 31.80 1xke s TRP 80 CO 0.10 -0.44 -0.18 0.00 0.02 0.00 0.00 176.95 176.46 1xke s MET 81 N -3.94 1.25 0.01 4.98 0.23 0.20 -1.26 119.30 120.77 1xke s MET 81 Ca 0.11 -1.39 0.03 0.00 -1.03 0.00 0.00 55.69 53.41 1xke s MET 81 Cb 0.07 -1.28 -0.01 0.00 -1.53 0.00 0.00 34.83 32.08 1xke s MET 81 CO -0.07 0.26 -0.11 -1.58 -2.03 0.00 0.00 175.02 171.49 1xke s TRP 82 N -2.08 0.93 -0.23 3.16 0.51 0.08 -0.12 118.94 121.20 1xke s TRP 82 Ca 0.15 -0.24 -0.10 0.00 -2.12 0.00 0.00 56.10 53.80 1xke s TRP 82 Cb -0.05 -0.58 -0.05 0.00 -0.81 0.00 0.00 33.47 31.97 1xke s TRP 82 CO 0.06 -0.01 0.14 -0.48 -0.51 0.00 0.00 176.95 176.15 1xke s LEU 83 N -0.57 3.98 0.07 2.99 2.34 -1.26 -1.40 118.68 124.84 1xke s LEU 83 Ca 0.02 0.06 -0.06 0.00 0.06 0.00 0.00 54.13 54.21 1xke s LEU 83 Cb -0.05 -2.06 -0.01 0.00 -0.56 0.00 0.00 46.19 43.50 1xke s LEU 83 CO 0.00 0.06 0.12 0.00 -1.06 0.00 0.00 176.35 175.48 1xke s ALA 84 N 1.06 -0.02 -0.45 1.48 0.00 -0.59 -4.86 121.76 118.39 1xke s ALA 84 Ca 0.07 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 1xke s ALA 84 Cb -0.14 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1xke s ALA 84 CO 0.04 -0.45 0.79 -1.12 0.00 0.00 0.00 175.76 175.03 1xke s SER 85 N -2.76 6.42 -0.07 0.00 0.01 -1.26 -1.64 113.70 114.40 1xke s SER 85 Ca 0.04 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 1xke s SER 85 Cb 0.05 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 1xke s SER 85 CO -0.10 -0.92 0.23 -0.62 0.41 0.00 0.00 173.24 172.24 1xke s ASP 86 N 2.14 6.51 0.00 2.44 2.15 -0.91 -4.67 116.67 124.34 1xke s ASP 86 Ca 0.30 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1xke s ASP 86 Cb -0.12 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1xke s ASP 86 CO 0.23 0.36 0.00 0.33 -0.17 0.00 0.00 175.17 175.92 1xke n PHE 87 N 1.79 0.00 -0.10 -5.34 -0.00 -1.24 -0.43 117.46 112.14 1xke n PHE 87 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.23 1xke n PHE 87 Cb 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 40.17 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1xke h SER 88 N 0.00 0.75 0.00 -2.13 0.87 -1.84 -3.37 113.55 107.83 1xke h SER 88 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1xke h SER 88 Cb 0.00 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1xke h SER 88 CO 0.00 0.85 -0.01 -0.67 -0.53 0.00 0.00 176.83 176.47 1xke n ASP 89 N -4.19 0.00 0.00 6.23 2.03 -1.26 -5.01 116.55 114.35 1xke n ASP 89 Ca 0.02 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1xke n ASP 89 Cb 0.33 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xke n GLY 90 N 0.00 1.07 0.11 0.27 0.00 -1.26 -4.94 105.19 100.43 1xke n GLY 90 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1xke n GLY 90 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xke n ASP 91 N 0.00 0.84 -4.89 1.61 -0.08 -1.26 -4.83 116.55 107.94 1xke n ASP 91 Ca 0.00 0.34 -0.34 0.00 -1.51 0.00 0.00 54.79 53.27 1xke n ASP 91 Cb 0.00 0.40 -0.05 0.00 2.34 0.00 0.00 41.12 43.81 1xke n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xke s ALA 92 N -3.24 3.88 0.26 -1.67 0.00 -1.26 -5.03 121.76 114.69 1xke s ALA 92 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1xke s ALA 92 Cb 0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1xke s ALA 92 CO 0.80 0.68 0.18 0.21 0.00 0.00 0.00 175.76 177.63 1xke s LYS 93 N -1.85 1.45 -0.18 0.00 2.20 0.43 -4.04 119.74 117.75 1xke s LYS 93 Ca 0.28 -1.80 -0.26 0.00 -0.36 0.00 0.00 55.97 53.83 1xke s LYS 93 Cb -0.13 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1xke s LYS 93 CO 0.17 -0.47 0.85 -0.48 -0.36 0.00 0.00 175.35 175.07 1xke s LEU 94 N -3.27 4.16 0.16 5.43 2.34 -1.24 -2.13 118.68 124.12 1xke s LEU 94 Ca 0.39 1.19 -0.06 0.00 0.06 0.00 0.00 54.13 55.71 1xke s LEU 94 Cb 0.05 -3.26 -0.02 0.00 -0.56 0.00 0.00 46.19 42.40 1xke s LEU 94 CO 0.18 -0.43 0.20 -1.61 -1.06 0.00 0.00 176.35 173.62 1xke s GLU 95 N 2.30 1.09 -0.36 1.48 2.02 -0.65 -4.92 118.70 119.66 1xke s GLU 95 Ca 0.39 -1.30 -0.14 0.00 0.02 0.00 0.00 54.97 53.93 1xke s GLU 95 Cb -0.16 0.32 -0.00 0.00 0.10 0.00 0.00 34.13 34.39 1xke s GLU 95 CO 0.12 -0.37 0.30 -0.65 0.02 0.00 0.00 175.26 174.67 1xke s GLN 96 N -4.01 3.36 -0.03 1.61 -0.21 -1.26 -1.54 119.66 117.58 1xke s GLN 96 Ca 0.21 -0.69 0.06 0.00 0.02 0.00 0.00 55.36 54.97 1xke s GLN 96 Cb 0.05 -3.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 1xke s GLN 96 CO 0.02 -0.56 -0.21 -1.17 -2.12 0.00 0.00 175.29 171.24 1xke s LEU 97 N 1.81 2.02 0.31 2.90 2.96 -0.50 -2.21 118.68 125.98 1xke s LEU 97 Ca 0.08 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1xke s LEU 97 Cb -0.18 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 1xke s LEU 97 CO 0.11 0.24 -0.05 0.00 -1.32 0.00 0.00 176.35 175.33 1xke s ALA 98 N -0.31 3.08 -0.02 5.97 0.00 -0.34 -0.74 121.76 129.40 1xke s ALA 98 Ca 0.03 -1.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.05 1xke s ALA 98 Cb -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1xke s ALA 98 CO 0.01 0.16 0.12 0.00 0.00 0.00 0.00 175.76 176.05 1xke s ALA 99 N -2.48 -0.30 0.01 0.00 0.00 -0.39 0.32 121.76 118.93 1xke s ALA 99 Ca 0.33 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1xke s ALA 99 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1xke s ALA 99 CO 0.18 -0.13 -0.03 0.21 0.00 0.00 0.00 175.76 175.99 1xke s LYS 100 N -0.62 0.25 0.18 0.00 2.20 -0.89 -2.73 119.74 118.12 1xke s LYS 100 Ca -0.07 -0.33 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1xke s LYS 100 Cb -0.04 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1xke s LYS 100 CO 0.01 0.01 0.15 -0.06 -0.36 0.00 0.00 175.35 175.10 1xke s PHE 101 N -0.67 3.16 0.19 4.03 0.40 -1.26 -1.01 117.98 122.82 1xke s PHE 101 Ca -0.06 -0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1xke s PHE 101 Cb -0.05 -1.50 0.11 0.00 0.51 0.00 0.00 43.02 42.09 1xke s PHE 101 CO -0.00 0.52 1.72 0.87 0.70 0.00 0.00 175.22 179.03 1xke h LYS 102 N 2.26 1.11 -5.95 0.44 6.56 -1.96 -3.43 116.57 115.60 1xke h LYS 102 Ca -0.48 -0.25 -0.54 0.00 -1.06 0.00 0.00 60.65 58.32 1xke h LYS 102 Cb 1.21 -0.15 -0.15 0.00 -0.57 0.00 0.00 32.23 32.56 1xke h LYS 102 CO 0.63 0.96 -0.76 0.95 -2.06 0.00 0.00 179.45 179.17 1xke s THR 103 N -5.36 2.05 -1.34 -0.16 -4.23 -1.26 -4.99 115.64 100.35 1xke s THR 103 Ca -0.12 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.28 1xke s THR 103 Cb 0.14 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 72.04 1xke s THR 103 CO 0.84 -0.43 1.19 -2.65 -0.54 0.00 0.00 174.62 173.03 1xke n PRO 104 N -0.26 0.10 -0.03 3.99 -0.02 -1.26 -0.42 135.00 137.10 1xke n PRO 104 Ca -0.09 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1xke n PRO 104 Cb 0.59 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 1xke n PRO 104 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xke h GLU 105 N 0.00 0.13 -0.02 -0.52 4.81 -1.96 0.80 114.58 117.82 1xke h GLU 105 Ca 0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1xke h GLU 105 Cb 0.10 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1xke h GLU 105 CO 0.00 0.62 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.54 1xke h LEU 106 N -0.35 0.30 -0.45 1.64 3.38 -1.63 -2.64 115.31 115.56 1xke h LEU 106 Ca 0.01 -0.73 -0.08 0.00 0.09 0.00 0.00 57.88 57.16 1xke h LEU 106 Cb 0.61 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xke h LEU 106 CO 0.02 0.98 -0.05 0.00 0.09 0.00 0.00 178.44 179.48 1xke h ALA 107 N 0.32 0.61 -0.04 1.53 0.00 -0.82 -1.94 119.26 118.93 1xke h ALA 107 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1xke h ALA 107 Cb 1.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xke h ALA 107 CO 0.06 0.45 -0.04 1.49 0.00 0.00 0.00 179.25 181.21 1xke h GLU 108 N 0.66 0.09 -0.68 0.00 4.57 0.57 -1.89 114.58 117.91 1xke h GLU 108 Ca 0.12 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1xke h GLU 108 Cb 0.56 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 1xke h GLU 108 CO 0.03 0.56 0.39 0.93 -1.18 0.00 0.00 179.01 179.74 1xke h GLU 109 N -0.38 0.70 -0.16 1.92 4.39 -1.50 -1.66 114.58 117.89 1xke h GLU 109 Ca 0.01 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1xke h GLU 109 Cb 0.54 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1xke h GLU 109 CO 0.01 0.46 -0.35 0.74 -1.16 0.00 0.00 179.01 178.71 1xke h PHE 110 N 0.72 0.37 0.10 4.33 0.04 -1.35 -1.23 116.94 119.92 1xke h PHE 110 Ca 0.30 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 61.00 1xke h PHE 110 Cb 0.16 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1xke h PHE 110 CO -0.07 0.64 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.84 1xke h LYS 111 N 0.28 -0.38 -0.07 1.51 3.64 -0.45 0.43 116.57 121.52 1xke h LYS 111 Ca 0.03 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1xke h LYS 111 Cb 0.75 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1xke h LYS 111 CO 0.06 -0.26 -0.07 1.96 -2.27 0.00 0.00 179.45 178.87 1xke h GLN 112 N -0.40 -0.09 -0.93 1.90 1.08 -1.35 -0.16 115.11 115.16 1xke h GLN 112 Ca 0.03 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1xke h GLN 112 Cb 0.43 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1xke h GLN 112 CO -0.13 -0.06 0.59 0.87 -0.95 0.00 0.00 178.83 179.14 1xke h LYS 113 N -0.09 1.24 0.10 1.46 1.79 -0.83 0.82 116.57 121.06 1xke h LYS 113 Ca 0.06 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1xke h LYS 113 Cb 0.17 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1xke h LYS 113 CO -0.13 0.85 -0.05 0.74 -1.08 0.00 0.00 179.45 179.77 1xke h PHE 114 N 1.27 -0.13 -0.08 -1.35 0.04 0.61 0.04 116.94 117.35 1xke h PHE 114 Ca 0.34 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 1xke h PHE 114 Cb -0.10 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1xke h PHE 114 CO 0.00 0.30 -0.16 0.93 -0.60 0.00 0.00 178.31 178.78 1xke h GLU 115 N -0.61 0.12 0.38 1.51 5.08 -0.97 -0.52 114.58 119.57 1xke h GLU 115 Ca -0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xke h GLU 115 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1xke h GLU 115 CO 0.02 0.28 -0.18 1.49 -1.00 0.00 0.00 179.01 179.62 1xke h GLU 116 N 0.11 -0.49 -0.45 2.33 4.57 -0.64 -2.50 114.58 117.50 1xke h GLU 116 Ca 0.02 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1xke h GLU 116 Cb 0.36 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1xke h GLU 116 CO 0.02 -0.26 0.30 0.00 -1.18 0.00 0.00 179.01 177.89 1xke h GLN 118 N 0.47 -0.11 -0.01 0.00 4.20 -0.65 0.30 115.11 119.31 1xke h GLN 118 Ca 0.19 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 1xke h GLN 118 Cb 0.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1xke h GLN 118 CO -0.05 -0.07 -0.17 0.00 -0.67 0.00 0.00 178.83 177.87 1xke h ARG 119 N -0.12 0.13 0.02 1.46 -0.00 -1.21 -3.27 114.38 111.39 1xke h ARG 119 Ca 0.07 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.98 59.34 1xke h ARG 119 Cb 0.21 0.03 0.01 0.00 0.00 0.00 0.00 29.97 30.23 1xke h ARG 119 CO -0.17 0.86 -0.33 -0.07 0.00 0.00 0.00 179.97 180.27 1xke h LEU 120 N -0.56 0.26 -2.32 3.04 4.07 -0.50 -3.37 115.31 115.92 1xke h LEU 120 Ca -0.02 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.12 1xke h LEU 120 Cb 0.92 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1xke h LEU 120 CO 0.03 1.05 0.00 0.25 -1.08 0.00 0.00 178.44 178.70 1xke h LEU 121 N -0.50 0.00 -0.81 1.67 5.85 -0.55 -2.22 115.31 118.74 1xke h LEU 121 Ca -0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1xke h LEU 121 Cb 1.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1xke h LEU 121 CO 0.06 0.00 0.45 -0.07 -0.34 0.00 0.00 178.44 178.55 1xke h LEU 122 N 0.00 1.01 0.00 2.25 3.38 -1.73 -3.29 115.31 116.93 1xke h LEU 122 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1xke h LEU 122 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1xke h LEU 122 CO 0.00 0.81 -1.49 -0.67 0.09 0.00 0.00 178.44 177.18 1xke n ASP 123 N -4.42 2.85 -4.54 -0.43 2.03 -0.84 -4.50 116.55 106.71 1xke n ASP 123 Ca 0.08 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.98 1xke n ASP 123 Cb 0.09 1.18 -0.09 0.00 -0.72 0.00 0.00 41.12 41.57 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xke s ILE 124 N -2.50 5.14 0.11 5.18 -5.25 -1.21 -5.04 121.20 117.63 1xke s ILE 124 Ca -0.04 0.06 -0.31 0.00 -0.99 0.00 0.00 60.65 59.38 1xke s ILE 124 Cb 0.05 -3.86 -0.07 0.00 2.95 0.00 0.00 42.46 41.52 1xke s ILE 124 CO 0.38 -0.14 1.31 -2.84 -1.79 0.00 0.00 174.94 171.86 1xke s PRO 125 N 2.08 4.37 0.00 0.37 0.02 -1.26 -4.82 135.00 135.77 1xke s PRO 125 Ca 0.13 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.13 1xke s PRO 125 Cb -0.16 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1xke s PRO 125 CO 0.12 -0.34 0.37 1.28 -0.33 0.00 0.00 177.00 178.10 1xke n LEU 126 N 3.73 0.73 -3.95 -5.54 4.77 -1.26 -4.89 117.00 110.59 1xke n LEU 126 Ca 0.10 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 1xke n LEU 126 Cb 0.44 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 1xke n LEU 126 CO 0.57 0.17 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.26 1xke s GLN 127 N -0.62 1.72 -0.11 3.23 -1.52 -1.26 -5.10 119.66 116.00 1xke s GLN 127 Ca 0.02 -0.82 0.03 0.00 -1.95 0.00 0.00 55.36 52.64 1xke s GLN 127 Cb 0.02 -2.39 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 1xke s GLN 127 CO 0.05 -0.50 -0.23 0.99 -0.25 0.00 0.00 175.29 175.36 1xke s THR 128 N 1.46 2.10 0.15 -0.19 2.01 -1.26 -5.10 115.64 114.81 1xke s THR 128 Ca -0.03 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 1xke s THR 128 Cb -0.17 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 1xke s THR 128 CO -0.07 0.56 1.47 -2.16 -0.69 0.00 0.00 174.62 173.72 1xke s PRO 129 N 0.48 4.27 0.00 4.92 0.04 -1.26 -5.28 135.00 138.17 1xke s PRO 129 Ca -0.15 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1xke s PRO 129 Cb -0.17 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1xke s PRO 129 CO 0.06 -0.50 0.00 1.17 0.04 0.00 0.00 177.00 177.77